2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one

C19H15ClN4OS — CID 168887158

IUPAC2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESNc1nc2c(=O)n(CCc3ccccc3)nc(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C19H15ClN4OS/c20-14-8-6-13(7-9-14)15-17-16(22-19(21)26-17)18(25)24(23-15)11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,21,22)
InChIKeyYFZGEEBBNKCZAQ-UHFFFAOYSA-N
MW382.88 g/mol
LogP4.00
Rot. Bonds4

About 2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one

2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one (PubChem CID 168887158) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is 2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one
PubChem CID168887158
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC Name2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one
SMILESNc1nc2c(=O)n(CCc3ccccc3)nc(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C19H15ClN4OS/c20-14-8-6-13(7-9-14)15-17-16(22-19(21)26-17)18(25)24(23-15)11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,21,22)
InChIKeyYFZGEEBBNKCZAQ-UHFFFAOYSA-N
XLogP4.00
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one (CID 168887158) is 2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one is Nc1nc2c(=O)n(CCc3ccccc3)nc(-c3ccc(Cl)cc3)c2s1.
What is the InChIKey of 2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one?
The InChIKey is YFZGEEBBNKCZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c20-14-8-6-13(7-9-14)15-17-16(22-19(21)26-17)18(25)24(23-15)11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,21,22).
What are the key properties of 2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one?
2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one has a molecular weight of 382.88 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(4-chlorophenyl)-5-(2-phenylethyl)-[1,3]thiazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 168887158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).